MOLINSTINCTS Product Summary

Mol-Instincts is…

A database providing thermo-physico-chemical & transport properties and fundamental molecular information of pure compounds.

Compounds Available:

More than 2.5 million compounds including:

  • Hydrocarbons, hetero-compounds (including atoms other than C and H), free radicals, and drug-like compounds
  • Compounds included in fuels such as gasoline, jet-fuel, diesel, and biodiesel
  • Compounds included in chemical processes such as thermal cracking, catalytic cracking, hydrocracking, desulfurization, isomerization,
    catalytic reforming, combustion, gas-to-liquid (GTL), coal-to-liquid (CTL), and methanol-to-olefin/gasoline (MTO/MTG)

Limitation: The maximum number of carbon atoms currently up to 57 (mostly to 25). Pure compounds with C, H, N, O, and S atoms only.

Property Data & Molecular Information Available:

More than 10 billion sets of data and information including:

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How Mol-Instincts Developed?

All the data and information were determined by…

The most advanced technology based on quantum mechanics, QSPR (Quantitative Structure–Property Relationships), and/or ANN (Artificial Neural Network) followed by 5+ years of professional verification with the corresponding experimental data available to date.

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How to access Mol-Instincts database…

Download and install Mol-Instincts Navigator software, which connects you to the Mol-Instincts database server online worldwide. Search all the compound list . Play with the 20 pre-determined demo compounds plus 10 compounds at your own choice (free). Then, choose a subscription plan fits for your purpose.



  • Application Benefits
  • Usage Benefits
  • Sign-up Benefits
  • Suggestion Benefits

Suggestion Benefits

MOLINSTINCTS Open beta Benefits
  • database of chemical compound properties, structures, and reactions

    Have you signed up? Anyone who sent us the free trial request form can try the demo and provide suggestions using the ‘My Message Box’ future. Your opinions are critical to us and will be actively reflected in the next version of MOL-Instincts. Depending on the significance of your suggestion, you will receive free license to access 50 selected compounds for 6 months, and 5 to 30% discount on the license fee.

  • Let us know any opinion from you, including but not limited to (1) the technical viability of MOL-Instincts, (2) the data accuracy, reliability and functionality of MOL-Instincts in your working environment, (3) whether the features of MOL-Instincts perform as designed and are useful, and (4) whether MOL-Instincts will work for its intended purpose.

    extensive coverage of information for pure compounds